SCHEMBL507528

SCHEMBL507528

COC(=S)c1ccc(C2CCCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 1/20 0.50
HAO1 Q9UJM8 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DEGS1 O15121 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.40
HPGD P15428 1/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12814026 0.82 HDAC8 (0.46) HDAC8HDAC6HDAC1HAO1MAPT
SCHEMBL1790000 0.79 ALDH1A1 (0.59) HDAC8HDAC6HDAC1HAO1MAPT
SCHEMBL2949436 0.79 ALDH1A1 (0.59) HDAC8HDAC6HDAC1HAO1MAPT
SCHEMBL2944396 0.79 ALDH1A1 (0.59) HDAC8HDAC6HDAC1HAO1MAPT
SCHEMBL29257265 0.78 KMO (0.55) HDAC8SMN1; SMN2LMNARAB9ANPC1
SCHEMBL507052 0.77 HAO1 (0.53) HDAC8HDAC6HDAC1HAO1SMN1; SMN2
SCHEMBL12813898 0.77 HAO1 (0.53) HDAC8HDAC6HDAC1HAO1SMN1; SMN2
SCHEMBL16684739 0.76 HDAC8 (0.61) HDAC8HDAC6HDAC1HAO1MAPT
SCHEMBL2354500 0.76 HAO1 (0.64) HDAC8HDAC6HDAC1HAO1MAPT
SCHEMBL507535 0.76 HDAC8 (0.50) HDAC8HDAC6HDAC1HAO1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HDAC8 1964/4885HDAC6 1861/4885HDAC1 1188/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HDAC8 3914/4885HDAC6 2510/4885HDAC1 2361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.